SCHEMBL13675358

SCHEMBL13675358

CCc1cccc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.57
BCL2 P10415 1/20 0.54
PTGS2 P35354 1/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MMP3 P08254 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
NISCH Q9Y2I1 1/20 0.44
CYP11B2 P19099 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KIF11 P52732 1/20 0.43
FGFR1 P11362 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
IDO1 P14902 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13266542 0.87 GABRG2 (0.49) CYP2A6BCL2CTSSCTSKNISCH
SCHEMBL5912019 0.82 TSHR (0.69) CTSSCTSKMMP3TSHRHSD17B10
SCHEMBL6252969 0.82 TSHR (0.69) CTSSCTSKMMP3TSHRHSD17B10
SCHEMBL1998639 0.82 MMP3 (0.47) MMP3TSHRHSD17B10HRH3CYP11B2
SCHEMBL16675765 0.82 PRKCI (0.56) MMP3HRH3CYP11B2FGFR1LOXL2
SCHEMBL8982347 0.82 CYP2A6 (0.57) CYP2A6CTSSCTSK
SCHEMBL10244532 0.82 CYP2A6 (0.57) CYP2A6CTSSCTSK
SCHEMBL3721300 0.82 LOXL2 (0.62) MMP3HRH3CYP11B2FGFR1LOXL2
SCHEMBL24272446 0.81 CTSS (0.50) CYP2A6PTGS2CTSSCTSKMMP3
SCHEMBL23621741 0.81 KIF11 (0.47) CYP2A6MMP3TSHRHSD17B10HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 CYP2A6 134/4885BCL2 2800/4885PTGS2 48/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 CYP2A6 118/4885BCL2 3423/4885PTGS2 72/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.